General Information of the Compound
| Compound ID |
CP0373960
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| Compound Name |
[9-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrimidin-4-ylmethanone
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| Structure |
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| Formula |
C26H34N4O2
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| Molecular Weight |
434.584
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| Canonical SMILES |
CC1(C)CCc2cc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncn3)ccc2O1
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| InChI |
InChI=1S/C26H34N4O2/c1-25(2)7-5-21-17-20(3-4-23(21)32-25)18-29-13-8-26(9-14-29)10-15-30(16-11-26)24(31)22-6-12-27-19-28-22/h3-4,6,12,17,19H,5,7-11,13-16,18H2,1-2H3
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| InChIKey |
NEHPVKVKVDQPOY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound